13. Bai, S.; Song, K.; Shi, Q.* Effects of Different Quantum Coherence on the Pump-probe Polarization Anisotropy of Photosynthetic Light Harvesting Complexes: A Computational Study. J. Phys. Chem. Lett. 2015, 6, 1954. 

12. Yu, Z.; Wu, Y.; Liao, Q.; Zhang, H.; Bai, S.; Li, H.; Xu, Z.; Sun, C.; Wang, X. D.; Yao, J.*; Fu, H.* Self-Assembled Microdisk Lasers of Perylenediimides. J. Am. Chem. Soc. 2015, 137, 15105.

11. Jing, Y.; Song, K.; Bai, S.; Shi, Q.* Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method. Chin.J. Chem. Phys. 2015, 28, 431.

10. Song, K.; Bai, S.; Shi, Q.* A time domain two-particle approximation to calculate the absorption and circular dichroism line shapes of molecular. J. Chem. Phys. 2015, 143, 064109.

9. Wang, X.; Liao, Q.; Li H.; Bai, S.; Wu, Y.; Lu, X.; Hu H; Shi, Q.; Fu, H.* Near-infrared lasing from small-molecule organic hemi-spheres. J. Am. Chem. Soc. 2015, 137, 9289.

8.Bai, S.; Xie, W.; Zhu, L.; Shi, Q.* Calculation of Absorption Spectra Involving Multiple Excited States: Approximate Methods Based on the Mixed Quantum Classical Liouville Equation. J. Chem. Phys. 2014, 140, 84105.

7.Bai, S.; Xie, W.; Shi, Q.* A New Trajectory Branching Approximation to Propagate the Mixed Quantum-Classical Liouville Equation. J. Phys. Chem. A 2014, 118, 9262. 

6. Liu, H.; Zhu, L.;Bai, S.; Shi, Q.* Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes J. Chem. Phys. 2014, 140, 134106.

5. Tang, A.; Lu, Z.; Bai, S.; Huang, J.; Chen, Y.; Shi, Q.; Zhan, C.*; Yao, J.* Photocurrent Enhancement in Diketopyrrolopyrrole Solar Cells by Manipulating Dipolar Anchoring Terminals on Alkyl-Chain Spacers. Chem. Asian J. 2014, 9, 883.

4. Xie, W.; Bai, S.; Zhu, L.; Shi, Q*. Calculation of Electron Transfer Rates Using Mixed Quantum Classical Approaches: Nonadiabatic Limit and Beyond. J. Phys. Chem. A 2013, 117, 6196.

3. Jing, Y.; Chen, L.; Bai, S.; Shi, Q.* Equilibrium excited state and emission spectra of molecular aggregates from the hierarchical equations of motion approach. J. Chem. Phys. 2013, 138, 045101.

2. Cao, X.; Bai, S.; Wu, Y.; Liao, Q.; Shi, Q.; Fu, H.*; Yao, J.* Self-assembly of twisted tetrachloroperylenediimide chromophores into two dimensional brick-stone aggregates: exciton dynamics and photoconductivity. Chem. Comm. 2012, 48, 6402.

1. Wu, X.; Ding, X.; Bai, S.; Xu, B.; He, S.*; Shi, Q.* Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of Ce_nO_2n+1^- (n=1-21). J. Phys. Chem. C 2011, 115, 13329.